Molecular dynamics study on the strengthening mechanisms of Cr–Fe–Co–Ni high-entropy alloys based on the generalized stacking fault energy

Jarlöv, Asker; Ji, Wei; Zhu, Ze‐Lin; Tian, Yuanyuan; Babicheva, Rita I.; An, Ran; Seet, H.L.; Nai, Mui Ling Sharon; Zhou, Kun

doi:10.1016/j.jallcom.2022.164137

Cited by 42 publications

(14 citation statements)

References 69 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…However, MD simulation has the added benefit of allowing researchers to investigate deformation mechanisms within an alloy via simulation of atomic motion under various ambient and loading conditions [118] . This ability is especially important as it is very difficult and laborious to observe plastic deformation processes under experimental [118,121] . Pan et al applied atomic-scale tensile MD simulations to a Fe 80-x Mn x Co 10 Cr 10 alloy system to investigate transformation-induced plasticity (TRIP) and twinning-induced plasticity (TWIP) mechanisms in this system [121] .…”

Section: Molecular Dynamicsmentioning

confidence: 99%

“…This ability is especially important as it is very difficult and laborious to observe plastic deformation processes under experimental [118,121] . Pan et al applied atomic-scale tensile MD simulations to a Fe 80-x Mn x Co 10 Cr 10 alloy system to investigate transformation-induced plasticity (TRIP) and twinning-induced plasticity (TWIP) mechanisms in this system [121] . In this work, the atomic fraction of Mn, strain rate, and grain size were all adjusted to investigate each variable's effect on the system's deformation mechanisms [121] .…”

Section: Molecular Dynamicsmentioning

confidence: 99%

“…Pan et al applied atomic-scale tensile MD simulations to a Fe 80-x Mn x Co 10 Cr 10 alloy system to investigate transformation-induced plasticity (TRIP) and twinning-induced plasticity (TWIP) mechanisms in this system [121] . In this work, the atomic fraction of Mn, strain rate, and grain size were all adjusted to investigate each variable's effect on the system's deformation mechanisms [121] . Figure 7A shows a schematic illustration of the model where green dots represent the FCC phase and white dots denote grain boundaries.…”

Section: Molecular Dynamicsmentioning

confidence: 99%

“…When carrying out tensile simulations of the various compositions, it was found that the yield strength correlated linearly with the energy required to introduce intrinsic stacking faults. Thus, the strongest composition was identified as (CoCrNi) 90 Fe 10 , [121] , copyright 2022, Elsevier; (B) simulation cell used in LAMMPS to calculate generalized stacking fault energy of the Co-Cr-Fe-Ni system. This figure is quoted with permission from Jarlov et al [122] , copyright 2022, Elsevier; (C) elemental distribution in the Co-Cr-Ni MEA system with different compositions produced by MD simulation.…”

Section: Molecular Dynamicsmentioning

confidence: 99%

See 3 more Smart Citations

A review on high-throughput development of high-entropy alloys by combinatorial methods

Mooraj¹,

Chen²

2023

J Mater Inf

View full text Add to dashboard Cite

High-entropy alloys (HEAs) are an emerging class of alloys with multi-principal elements that greatly expands the compositional space for advanced alloy design. Besides chemistry, processing history can also affect the phase and microstructure formation in HEAs. The number of possible alloy compositions and processing paths gives rise to enormous material design space, which makes it challenging to explore by traditional trial-and-error approaches. This review highlights the progress in combinatorial high-throughput studies towards rapid prediction, manufacturing, and characterization of promising HEA compositions. This review begins with an introduction to HEAs and their unique properties. Then, this review describes high-throughput computational methods such as machine learning that can predict desired alloy compositions from hundreds or even thousands of candidates. The next section of this review presents advances in combinatorial synthesis of material libraries by additive manufacturing for efficient development of high-performance HEAs at bulk scale. The final section of this review discusses the high-throughput characterization techniques that are used to accelerate the material property measurements for systematic understanding of the composition-processing-structure-property relationships in combinatorial HEA libraries.

show abstract

Section: Molecular Dynamicsmentioning

confidence: 99%

Section: Molecular Dynamicsmentioning

confidence: 99%

Section: Molecular Dynamicsmentioning

confidence: 99%

Section: Molecular Dynamicsmentioning

confidence: 99%

See 2 more Smart Citations

A review on high-throughput development of high-entropy alloys by combinatorial methods

Mooraj¹,

Chen²

2023

J Mater Inf

View full text Add to dashboard Cite

show abstract

“…This choice for presenting the results was made in order to have a way to compare NPs with the same overall composition. NiCo core–shell nanoalloys present higher yield strength, which could be understood in terms of the unstable stacking fault energy (USFE), 18–20 as is shown in Fig. 2b.…”

Section: Resultsmentioning

confidence: 91%

On the mechanical response in nanoalloys: the case of NiCo

et al. 2023

View full text Add to dashboard Cite

show abstract

Combinatorial Design of Novel Multiprincipal Element Alloys Using Experimental Techniques

Gubicza

2023

Adv Eng Mater

View full text Add to dashboard Cite

Multiprincipal element alloys (MPEAs) including high‐entropy alloys are in the focus of materials science since many MPEA compositions exhibit outstanding mechanical and physical properties. These alloys contain 3–6 constituents with similar fractions; therefore, MPEAs correspond to the unexplored middle part of the phase diagrams. The phase composition and the performance of MPEAs are strongly influenced by their chemistry. Thus, it is very important to reveal the correlation between the composition, the structure, and the properties of MPEAs. On the other hand, this task is challenging due to the vast composition space of these alloys. The processing and characterization of combinatorial specimens can yield a fast mapping of compositional libraries of MPEAs. Herein, the experimental techniques developed for manufacturing and investigation of these alloys are overviewed and the results are critically discussed. Finally, further development directions in the field of combinatorial MPEAs are recommended in order to improve the study of the different alloy compositions.

show abstract

Molecular dynamics study on the strengthening mechanisms of Cr–Fe–Co–Ni high-entropy alloys based on the generalized stacking fault energy

Cited by 42 publications

References 69 publications

A review on high-throughput development of high-entropy alloys by combinatorial methods

A review on high-throughput development of high-entropy alloys by combinatorial methods

On the mechanical response in nanoalloys: the case of NiCo

Combinatorial Design of Novel Multiprincipal Element Alloys Using Experimental Techniques

Contact Info

Product

Resources

About